SCHEMBL3602669

SCHEMBL3602669

Cc1cc(C)cc(OCC(=O)c2ccc(C(C)C)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.47
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3601091 0.87 MAPT (0.48) USP5RXRARXRBSMN1; SMN2RAB9A
SCHEMBL31357496 0.81 MAPT (0.58) RAB9AMAPTKDM4EL3MBTL1POLB
SCHEMBL3599787 0.81 NPC1 (0.58) SMN1; SMN2RAB9ALMNAMAPTKDM4E
SCHEMBL11645814 0.79 PTPN7 (0.56) SMN1; SMN2RAB9ALMNAMAPTKDM4E
SCHEMBL9787301 0.77 MAPT (0.57) MAPTKDM4EMEN1POLBKMT2A
SCHEMBL3600654 0.74 L3MBTL1 (0.45) USP5RXRASMN1; SMN2RAB9ALMNA
SCHEMBL3592960 0.74 L3MBTL1 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5762727 0.73 KDM4E (0.57) LMNAKDM4EPOLB
SCHEMBL3612844 0.73 ALDH1A1 (0.56) USP5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5990029 0.73 NPC1 (0.56) SMN1; SMN2RAB9ALMNAMAPTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 USP5 3083/4885RXRA 335/4885RXRB 237/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 USP5 3083/4885RXRA 335/4885RXRB 237/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 USP5 3083/4885RXRA 335/4885RXRB 237/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 USP5 3083/4885RXRA 335/4885RXRB 237/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.